Projects

Dynamics

• A2: Dynamically consistent coarse-grained models
• A3: Coarse-graining frequency-dependent phenomena and memory in colloidal systems
• A4: Understanding Water Relaxation Dynamics at Interfaces
• A5 (E): Heat transfer in polymer nanocomposites
• A6: Dynamic heterogeneities in coarse-grained and fine-grained models of liquid crystals and ionic liquids
• A7: Dynamical coarse-graining for non-equilibrium steady states with stochastic dynamics
• A8 (N): Roberto - Improved dynamics in self-consistent field molecular dynamics simulations of polymers

Particle based coarse-graining and mixed resolution schemes

• B1: Inverse problems in coarse-grained particle simulations
• B2: Many-body effects and optimized mapping schemes for systematic coarse-graining
• B3: Coarse-graining of solvent effects in force-probe molecular dynamics simulations
• B4: Equilibrium and non-equilibrium processes in open systems via adaptive resolution simulations
• B5 (N): Multi-resolution methods including quantum chemistry, force fields, and hybrid particle-field schemes
• B6 (N): Topological validation of coarse-grained polymer models
• B7 (N): Machine learning for multiscale simulations

Bridging the particle-continuum gap

• C1: Using molecular fields to bridge between particle and continuum representations of macromolecular systems
• C3: Spinodal decomposition of polymer-solvent systems
• C4 (E): Nonlocal electrostatics of biomolecular systems
• C5: Adaptive hybrid multiscale simulations of soft matter fluids
• C6 (E): Linking hydrodynamics and microscopic models of wet active matter with anisotropic particles
• C7 (N): Dense active suspensions in the chaotic regime

Central service project G

• G: Central soft matter simulation platform

Integrated Research Training

• MGK: Integrated Research Training Group